N-(4-chlorophenyl)-5-[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
N-(4-chlorophenyl)-5-[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F736-0444 |
Compound Name: | N-(4-chlorophenyl)-5-[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 448.95 |
Molecular Formula: | C19 H17 Cl N4 O3 S2 |
Smiles: | COc1ccc(CNC(CSc2nnc(C(Nc3ccc(cc3)[Cl])=O)s2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.7315 |
logD: | 3.7307 |
logSw: | -4.3845 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.938 |
InChI Key: | RSEMJOFMCOGVQO-UHFFFAOYSA-N |